(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone

C13H20N2O2 — CID 22427573

IUPAC(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)CC2)no1
InChIInChI=1S/C13H20N2O2/c1-3-4-11-9-12(14-17-11)13(16)15-7-5-10(2)6-8-15/h9-10H,3-8H2,1-2H3
InChIKeyJKINPGKFVKXAQD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone

(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 22427573) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID22427573
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)CC2)no1
InChIInChI=1S/C13H20N2O2/c1-3-4-11-9-12(14-17-11)13(16)15-7-5-10(2)6-8-15/h9-10H,3-8H2,1-2H3
InChIKeyJKINPGKFVKXAQD-UHFFFAOYSA-N
XLogP2.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
N-cyclopropyl-3-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 42240244
[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70728444
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 56865747
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72851515
(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 70710534
(5-propyl-1,2-oxazol-3-yl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92590317
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72903367
(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone (CID 22427573) is (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(C)CC2)no1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JKINPGKFVKXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-11-9-12(14-17-11)13(16)15-7-5-10(2)6-8-15/h9-10H,3-8H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 22427573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).